SCHEMBL6320439

SCHEMBL6320439

CC(CC(O)(c1ccc(S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1)NC[C@H](O)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.52
ADRB2 P07550 6/20 0.52
ADRB3 P13945 4/20 0.52
CYP2D6 P10635 3/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.46
DPP4 P27487 2/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
KDM4E B2RXH2 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6320443 1.00 ADRB1 (0.52) ADRB1ADRB2ADRB3CYP2D6KMT2A
SCHEMBL6322846 0.88 ADRB2 (0.63) ADRB1ADRB2ADRB3CYP2D6KMT2A
SCHEMBL6322852 0.88 ADRB2 (0.63) ADRB1ADRB2ADRB3CYP2D6KMT2A
SCHEMBL6323866 0.85 ADRB2 (0.58) ADRB1ADRB2ADRB3CYP2D6KMT2A
SCHEMBL6323862 0.85 ADRB2 (0.58) ADRB1ADRB2ADRB3CYP2D6KMT2A
SCHEMBL11580622 0.85 ADRB1 (0.60) ADRB1ADRB2ADRB3CYP2D6KMT2A
SCHEMBL6319503 0.84 KMT2A (0.63) ADRB1ADRB2ADRB3CYP2D6KMT2A
SCHEMBL6319499 0.84 KMT2A (0.63) ADRB1ADRB2ADRB3CYP2D6KMT2A
SCHEMBL6322829 0.83 ADRB2 (0.54) ADRB1ADRB2ADRB3CYP2D6KMT2A
SCHEMBL6322832 0.83 ADRB2 (0.54) ADRB1ADRB2ADRB3CYP2D6KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885ADRB2 3/4885ADRB3 2/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885ADRB2 3/4885ADRB3 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.